UCSF

ZINC45694296

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.38 2.13 -51.79 2 5 1 63 215.273 5
Hi High (pH 8-9.5) -0.38 0.98 -10.05 1 5 0 59 214.265 5
Mid Mid (pH 6-8) -0.38 0.99 -8.25 1 5 0 59 214.265 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )